Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | KDR | P35968 | 13/20 | 0.56 |
| ▸ | PDGFRB | P09619 | 6/20 | 0.55 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.54 |
| ▸ | FLT3 | P36888 | 6/20 | 0.53 |
| ▸ | RET | P07949 | 3/20 | 0.53 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.53 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.53 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.53 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.53 |
| ▸ | LTK | P29376 | 1/20 | 0.53 |
| ▸ | CDK8 | P49336 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.53 |
| ▸ | KIT | P10721 | 6/20 | 0.52 |
| ▸ | FLT1 | P17948 | 5/20 | 0.52 |
| ▸ | CSF1R | P07333 | 4/20 | 0.52 |
| ▸ | FLT4 | P35916 | 4/20 | 0.52 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27682740 | 0.84 | KDR (0.57) | KDRRIPK1FLT3RETAURKB | |
| SCHEMBL27663133 | 0.83 | RIPK1 (0.52) | CA12CA1CA2CA9KDR | |
| SCHEMBL28078227 | 0.78 | CA12 (0.60) | CA12CA1CA2CA9KDR | |
| SCHEMBL13541769 | 0.77 | CA12 (0.69) | CA12CA1CA2CA9KDR | |
| SCHEMBL21750852 | 0.76 | CA12 (0.70) | CA12CA1CA2CA9KDR | |
| SCHEMBL4260549 | 0.75 | RET (0.57) | CA12CA1CA2CA9KDR | |
| SCHEMBL5341416 | 0.75 | KDR (0.68) | CA12CA1CA2CA9KDR | |
| SCHEMBL4340395 | 0.75 | CA12 (0.69) | CA12CA1CA2CA9KDR | |
| SCHEMBL24710550 | 0.75 | FLT1 (0.67) | KDRPDGFRBRIPK1FLT3RET | |
| SCHEMBL31000858 | 0.75 | FLT1 (0.67) | KDRPDGFRBRIPK1FLT3RET |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1993361-B | Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER PHARMACEUTICALS CORP | 2010-05-26 | — | — | CN | disclosed |
| CN-1993361-A | Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis | BAYER PHARMACEUTICALS CORP (US) | 2007-07-04 | — | — | CN | disclosed |